3K8D

Crystal structure of E. coli lipopolysaccharide specific CMP-KDO synthetase in complex with CTP and 2-deoxy-Kdo

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	3-deoxy-manno-octulosonate cytidylyltransferase	polymer	264	29456.4	4	UniProt (P04951) Pfam (PF02348)	Escherichia coli	CMP-KDO synthetase, CMP-2-keto-3-deoxyoctulosonic acid synthetase, CKS
2	E, H, K, N (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
3	F, I, L, O (A, B, C, D)	3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid	non-polymer		238.2	4	Chemie (KDO)
4	G, J, M, P (A, B, C, D)	CYTIDINE-5'-TRIPHOSPHATE	non-polymer		483.2	4	Chemie (CTP)
5	Q, R, S, T (A, B, C, D)	water	water		18.0	1255	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 248 (UniProt: P04951)

PDB	External Database	Details
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	117825.5
Non-Polymers*	Number of molecules	12
	Total formula weight	2982.6
All*	Total formula weight	120808.1

*Water molecules are not included.